2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

C9H11ClN4O — CID 84740520

IUPAC2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1[nH]cnc1Cl)N1CCOCC1
InChIInChI=1S/C9H11ClN4O/c10-9-8(12-6-13-9)7(5-11)14-1-3-15-4-2-14/h6-7H,1-4H2,(H,12,13)
InChIKeySDSHOIFVTPSZQF-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 84740520) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
PubChem CID84740520
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1[nH]cnc1Cl)N1CCOCC1
InChIInChI=1S/C9H11ClN4O/c10-9-8(12-6-13-9)7(5-11)14-1-3-15-4-2-14/h6-7H,1-4H2,(H,12,13)
InChIKeySDSHOIFVTPSZQF-UHFFFAOYSA-N
XLogP0.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (CID 84740520) is 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is N#CC(c1[nH]cnc1Cl)N1CCOCC1.
What is the InChIKey of 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is SDSHOIFVTPSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-9-8(12-6-13-9)7(5-11)14-1-3-15-4-2-14/h6-7H,1-4H2,(H,12,13).
What are the key properties of 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 226.67 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 84740520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).